N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide

C24H25FN6O — CID 45499109

IUPACN-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide
SMILESO=C(CCc1nnc2c(N3CCCCC3)nc3ccccc3n12)NCc1ccc(F)cc1
InChIInChI=1S/C24H25FN6O/c25-18-10-8-17(9-11-18)16-26-22(32)13-12-21-28-29-24-23(30-14-4-1-5-15-30)27-19-6-2-3-7-20(19)31(21)24/h2-3,6-11H,1,4-5,12-16H2,(H,26,32)
InChIKeyOLWTVTRYYKFTHG-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.66
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide

N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide (PubChem CID 45499109) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide
PubChem CID45499109
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide
SMILESO=C(CCc1nnc2c(N3CCCCC3)nc3ccccc3n12)NCc1ccc(F)cc1
InChIInChI=1S/C24H25FN6O/c25-18-10-8-17(9-11-18)16-26-22(32)13-12-21-28-29-24-23(30-14-4-1-5-15-30)27-19-6-2-3-7-20(19)31(21)24/h2-3,6-11H,1,4-5,12-16H2,(H,26,32)
InChIKeyOLWTVTRYYKFTHG-UHFFFAOYSA-N
XLogP3.66
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide
CID 45499108
N-butyl-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide
CID 50832893
3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid
CID 45030912
1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 838791
N-[(4-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332549
N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115843
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085
N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622
4-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 53070039
N-ethyl-3-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53129237
N-[(4-fluorophenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 4881682
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 93015032

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide (CID 45499109) is N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide is O=C(CCc1nnc2c(N3CCCCC3)nc3ccccc3n12)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide?
The InChIKey is OLWTVTRYYKFTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c25-18-10-8-17(9-11-18)16-26-22(32)13-12-21-28-29-24-23(30-14-4-1-5-15-30)27-19-6-2-3-7-20(19)31(21)24/h2-3,6-11H,1,4-5,12-16H2,(H,26,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide?
N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide has a molecular weight of 432.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide is sourced from PubChem (CID 45499109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).